2-(2-azanylidene-3-propyl-1H-benzimidazol-1-ium-1-yl)-N-(2,6-diethylphenyl)ethanamide chloride

Systemtic Name: 2-(2-azanylidene-3-propyl-1H-benzimidazol-1-ium-1-yl)-N-(2,6-diethylphenyl)ethanamide chloride Openeye Name: N-(2,6-diethylphenyl)-2-(2-imino-3-propyl-1H-benzimidazol-1-ium-1-yl)acetamide chloride CAS Name: N-(2,6-diethylphenyl)-2-(2-imino-3-propyl-1H-benzimidazol-1-ium-1-yl)acetamide chloride IUPAC Name: N-(2,6-diethylphenyl)-2-(2-imino-3-propyl-1H-benzimidazol-1-ium-1-yl)acetamide chloride Traditional Name: N-(2,6-diethylphenyl)-2-(2-imino-3-propyl-1H-benzimidazol-1-ium-1-yl)acetamide chloride Formula: C22H29ClN4O MolecularWeight: 400.94486

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2[NH+](C1=N)CC(=O)NC3=C(C=CC=C3CC)CC.[Cl-]

Isomeric SMILES

CCCN1C2=CC=CC=C2[NH+](C1=N)CC(=O)NC3=C(C=CC=C3CC)CC.[Cl-]

InChI

InChI=1S/C22H28N4O.ClH/c1-4-14-25-18-12-7-8-13-19(18)26(22(25)23)15-20(27)24-21-16(5-2)10-9-11-17(21)6-3;/h7-13,23H,4-6,14-15H2,1-3H3,(H,24,27);1H